Sodium in PDB 4xq1: Crystal Structure of Hemerythrin: L114A Mutant

The structure of Crystal Structure of Hemerythrin: L114A Mutant, PDB code: 4xq1 was solved by P.Chuankhayan, K.H.C.Chen, H.H.Wu, C.J.Chen, M.Fukuda, S.S.F.Yu, S.I.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.45 / 1.40
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	83.876, 83.876, 31.180, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.6

The structure of Crystal Structure of Hemerythrin: L114A Mutant also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Hemerythrin: L114A Mutant (pdb code 4xq1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Hemerythrin: L114A Mutant, PDB code: 4xq1:

Sodium binding site 1 out of 1 in the Crystal Structure of Hemerythrin: L114A Mutant


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Hemerythrin: L114A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:39.8 occ:1.00 O3 A:NO3203 1.9 25.9 1.0 O2 A:NO3203 2.8 22.2 1.0 N A:NO3203 2.9 16.6 1.0 CZ3 A:TRP113 3.7 13.0 1.0 O1 A:NO3203 3.8 14.3 1.0 CE3 A:TRP113 4.0 13.5 1.0 CG2 A:ILE25 4.1 12.6 1.0 CD1 A:ILE25 4.3 13.1 1.0 CG1 A:VAL55 4.3 13.9 1.0 CB A:ALA114 4.4 13.3 1.0 CE2 A:PHE59 4.4 12.0 1.0 CG2 A:VAL55 4.5 13.9 1.0 CZ A:PHE59 4.6 12.6 1.0 CA A:ALA114 4.9 11.6 1.0 CH2 A:TRP113 4.9 12.7 1.0 CD2 A:LEU84 4.9 17.1 1.0

K.H.Chen, P.Chuankhayan, H.H.Wu, C.J.Chen, M.Fukuda, S.S.Yu, S.I.Chan. The Bacteriohemerythrin From Methylococcus Capsulatus (Bath): Crystal Structures Reveal That LEU114 Regulates A Water Tunnel J.Inorg.Biochem. 2015.
ISSN: ISSN 0162-0134
PubMed: 25890483
DOI: 10.1016/J.JINORGBIO.2015.04.001